Compound Detail
CHEMBL411200
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CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL411200 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | HSIJKUAIIWWPSW-RDYJSRSKSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
2004.3
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 2 CHEMBL3309 | IC50 | 9.25 | 9.25 | 0.6 | 1 |
| Neuropeptide Y receptor type 2 CHEMBL4018 | IC50 | 8.43 | 8.43 | 3.7 | 1 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | IC50 | 6.74 | 6.74 | 183.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 2 | IC50 | = | 0.56 | nM | 9.25 | Antisecretory potency, affinity for intestinal PYY of rat jejunum by using short... | 10978189 |
| Neuropeptide Y receptor type 2 | IC50 | = | 3.73 | nM | 8.43 | Affinity against Neuropeptide Y receptor Y2 in SK-N-BE2 cell line | 10978189 |
| Neuropeptide Y receptor type 1 | IC50 | = | 183.0 | nM | 6.74 | Affinity against Neuropeptide Y receptor Y1 in SK-N-MC cell line | 10978189 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10978189 | 10.1021/jm000052z | Neuropeptide Y receptor type 2 | 2 |
| 10978189 | 10.1021/jm000052z | Neuropeptide Y receptor type 1 | 1 |
| 10978189 | 10.1021/jm000052z | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine